SCHEMBL7780236

SCHEMBL7780236

CCN(CC)CC(O)CNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCCN1CCCCC1.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCCN1CCCCC1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7787393 0.83 SMN1; SMN2 (0.44) MAPTLMNASMN1; SMN2MAOB
SCHEMBL7802510 0.83 ALDH1A1 (0.38) PDGFRBKITKDRMAP2K2MAP2K1
SCHEMBL7787383 0.81 MAP2K1 (0.35) MAPTLMNASMN1; SMN2MAOBPDGFRB
SCHEMBL7784882 0.79 KMT2A (0.38) MAPTLMNAPDGFRBKITKDR
SCHEMBL7787515 0.78 LMNA (0.44) MAPTLMNASMN1; SMN2MAOBCYP2C19
SCHEMBL7800363 0.78 LMNA (0.37) MAPTLMNAPDGFRBKITKDR
SCHEMBL7787331 0.76 CYP1A2 (0.44) PDGFRBKITKDRCYP2C19
SCHEMBL7800376 0.75 LMNA (0.34) MAPTLMNAPDGFRBKITKDR
SCHEMBL6036040 0.75 MAPT (0.56) MAPTLMNASMN1; SMN2MAOB
SCHEMBL6035383 0.73 LMNA (0.48) MAPTLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed